(2E,5Z)-7-(hydroxymethyl)-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dienenitrile

C14H15NO — CID 143426131

IUPAC(2E,5Z)-7-(hydroxymethyl)-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dienenitrile
SMILESC=C/C=C(/C#N)C(=C)C(=C)/C=C\C(=C)CO
InChIInChI=1S/C14H15NO/c1-5-6-14(9-15)13(4)12(3)8-7-11(2)10-16/h5-8,16H,1-4,10H2/b8-7-,14-6-
InChIKeyQWGZHIKGPIKKIX-NYOKVFCBSA-N
MW213.28 g/mol
LogP2.84
Rot. Bonds6

About (2E,5Z)-7-(hydroxymethyl)-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dienenitrile

(2E,5Z)-7-(hydroxymethyl)-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dienenitrile (PubChem CID 143426131) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is (2E,5Z)-7-(hydroxymethyl)-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dienenitrile.

Molecular Properties

Compound Name(2E,5Z)-7-(hydroxymethyl)-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dienenitrile
PubChem CID143426131
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name(2E,5Z)-7-(hydroxymethyl)-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dienenitrile
SMILESC=C/C=C(/C#N)C(=C)C(=C)/C=C\C(=C)CO
InChIInChI=1S/C14H15NO/c1-5-6-14(9-15)13(4)12(3)8-7-11(2)10-16/h5-8,16H,1-4,10H2/b8-7-,14-6-
InChIKeyQWGZHIKGPIKKIX-NYOKVFCBSA-N
XLogP2.84
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E)-4-fluoro-5-(hydroxymethyl)-2-methylidenehexa-3,5-dienenitrile
CID 178060183
(E)-8-hydroxy-6-methylideneoct-4-enenitrile
CID 11344107
(4Z,6E)-8-hydroxyocta-4,6-dienenitrile
CID 134863896
(Z,2Z)-3-ethyl-2-ethylidene-5-hydroxyhex-3-enenitrile
CID 10975836
4-Buta-1,3-dienyl-8-hydroxyocta-2,4,6-trienenitrile
CID 88811466
(2E)-4-(hydroxymethyl)-2-methylpenta-2,4-dienenitrile
CID 89399523
5-(Hydroxymethyl)cyclohepta-1,3,6-triene-1-carbonitrile
CID 89757180
(3E)-2-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dienenitrile
CID 89839919
3-[(1R)-1-hydroxyethyl]cyclohexa-1,3-diene-1-carbonitrile
CID 126661191
(2E,3E)-2-ethylidene-4-(hydroxymethyl)hexa-3,5-dienenitrile;propane
CID 142387782
ethane;(3E,4Z)-3-ethylidene-2-hydroxyhepta-4,6-dienenitrile
CID 142973633
(2E)-2-ethenyl-4-(hydroxymethyl)penta-2,4-dienenitrile
CID 143230716

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-7-(hydroxymethyl)-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dienenitrile?
The IUPAC name of (2E,5Z)-7-(hydroxymethyl)-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dienenitrile (CID 143426131) is (2E,5Z)-7-(hydroxymethyl)-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dienenitrile.
What is the SMILES notation for (2E,5Z)-7-(hydroxymethyl)-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dienenitrile?
The canonical SMILES for (2E,5Z)-7-(hydroxymethyl)-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dienenitrile is C=C/C=C(/C#N)C(=C)C(=C)/C=C\C(=C)CO.
What is the InChIKey of (2E,5Z)-7-(hydroxymethyl)-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dienenitrile?
The InChIKey is QWGZHIKGPIKKIX-NYOKVFCBSA-N. The full InChI is InChI=1S/C14H15NO/c1-5-6-14(9-15)13(4)12(3)8-7-11(2)10-16/h5-8,16H,1-4,10H2/b8-7-,14-6-.
What are the key properties of (2E,5Z)-7-(hydroxymethyl)-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dienenitrile?
(2E,5Z)-7-(hydroxymethyl)-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dienenitrile has a molecular weight of 213.28 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-7-(hydroxymethyl)-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dienenitrile is sourced from PubChem (CID 143426131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).